C252H156N4O6 — CID 157344365
N,N-bis(9,9-diphenylfluoren-2-yl)-7-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-1-yl-N,N-bis(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 157344365) has the molecular formula C252H156N4O6 and a molecular weight of 3336.04 g/mol. Its IUPAC name is N,N-bis(9,9-diphenylfluoren-2-yl)-7-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-1-yl-N,N-bis(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine.
| Compound Name | N,N-bis(9,9-diphenylfluoren-2-yl)-7-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-1-yl-N,N-bis(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine |
|---|---|
| PubChem CID | 157344365 |
| Molecular Formula | C252H156N4O6 |
| Molecular Weight | 3336.04 g/mol |
| Exact Mass | 3333.20 |
| IUPAC Name | N,N-bis(9,9-diphenylfluoren-2-yl)-7-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-1-yl-N,N-bis(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine |
| SMILES | c1ccc(-c2ccc(N(c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cc5c(oc6cccc(-c7cccc8ccccc78)c65)c5ccccc45)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)cc21 |
| InChI | InChI=1S/C76H45NO.C76H49NO.2C50H31NO2/c1-2-21-49-46(19-1)20-17-30-50(49)60-31-18-38-72-73(60)62-45-71(59-28-3-4-29-61(59)74(62)78-72)77(47-39-41-57-55-26-9-15-36-67(55)75(69(57)43-47)63-32-11-5-22-51(63)52-23-6-12-33-64(52)75)48-40-42-58-56-27-10-16-37-68(56)76(70(58)44-48)65-34-13-7-24-53(65)54-25-8-14-35-66(54)76;1-5-25-51(26-6-1)75(52-27-7-2-8-28-52)67-40-19-17-34-59(67)61-45-43-55(47-69(61)75)77(56-44-46-62-60-35-18-20-41-68(60)76(70(62)48-56,53-29-9-3-10-30-53)54-31-11-4-12-32-54)71-49-66-73-64(58-38-21-24-50-23-13-14-33-57(50)58)39-22-42-72(73)78-74(66)65-37-16-15-36-63(65)71;1-2-14-32(15-3-1)34-18-10-19-35(30-34)51(44-27-12-26-42-39-22-8-9-28-46(39)52-50(42)44)45-31-43-48-40(37-24-11-17-33-16-4-5-20-36(33)37)25-13-29-47(48)53-49(43)41-23-7-6-21-38(41)45;1-2-13-32(14-3-1)33-27-29-35(30-28-33)51(44-24-11-23-42-39-19-8-9-25-46(39)52-50(42)44)45-31-43-48-40(37-21-10-16-34-15-4-5-17-36(34)37)22-12-26-47(48)53-49(43)41-20-7-6-18-38(41)45/h1-45H;1-49H;2*1-31H |
| InChIKey | BGTXQZXIJXTXLY-UHFFFAOYSA-N |
| XLogP | 68.66 |
| TPSA | 91.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 262 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3336.04 |
| LogP ≤ 5 | 68.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |